4-[(2-azanyl-4-methyl-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,2-disulfonic acid

Systemtic Name: 4-[(2-azanyl-4-methyl-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,2-disulfonic acid Openeye Name: 4-[(2-amino-4-methyl-benzoyl)amino]-5-hydroxy-naphthalene-1,2-disulfonic acid CAS Name: 4-[[(2-amino-4-methylphenyl)-oxomethyl]amino]-5-hydroxynaphthalene-1,2-disulfonic acid IUPAC Name: 4-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-1,2-disulfonic acid Traditional Name: 4-[(2-amino-4-methyl-benzoyl)amino]-5-hydroxy-naphthalene-1,2-disulfonic acid Formula: C18H16N2O8S2 MolecularWeight: 452.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC(=C(C3=C2C(=CC=C3)O)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC(=C(C3=C2C(=CC=C3)O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C18H16N2O8S2/c1-9-5-6-10(12(19)7-9)18(22)20-13-8-15(29(23,24)25)17(30(26,27)28)11-3-2-4-14(21)16(11)13/h2-8,21H,19H2,1H3,(H,20,22)(H,23,24,25)(H,26,27,28)